Geometry & MOs

Info

ID:	75386
PubChem CID:	48423408
Reduced:	SO3N4C18H24 (1)
Stoich.:	AB3C4D18E24 (1)
Weight, g/mol:	350.176106
ΔH_f, kcal/mol:	-13.17
Dipole, Da:	3.1
IP(EA), eV:	-9.11(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(4-chlorophenyl)methyl]-1,4-diazepan-1-yl]-2-(cyclopropylmethoxy)propan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)N1CCN(CC1)CC2=NC(=NO2)C3=CSC=C3)OCC4CC4

DOS

IR

Vibrations